REMARK  Name = LIG000804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619   0.732  -0.742  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.316   0.174   0.260  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.571  -0.648   1.010  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.237  -0.958   0.832  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.201  -1.834   1.804  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.858  -2.055   2.555  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.411  -0.345  -0.253  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.955  -1.359   2.115  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.320   0.507  -1.021  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.285  -1.363   2.708  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.268  -0.797   4.128  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.914  -2.755   2.671  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.237   1.614  -1.611  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.615   1.691  -2.410  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.652   1.433  -1.959  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.018   2.155  -1.278  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.561   2.017  -0.860  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -3.993  -0.020  -2.357  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -5.100  -0.056  -3.258  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -5.246  -0.991  -3.484  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.759  -0.605  -0.539  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        2.187  -1.041   0.277  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.478   0.509  -1.134  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.943   0.141  -1.375  0.00  0.00    +0.025 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.752   0.067  -0.077  0.00  0.00    +0.056 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.194  -0.211  -0.348  0.00  0.00    +0.039 A 
ATOM     27  N   LIG    1        7.161   0.757  -0.476  0.00  0.00    -0.271 N 
ATOM     28  C   LIG    1        6.995   2.188  -0.377  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        8.389   0.255  -0.710  0.00  0.00    -0.180 NA
ATOM     30  C   LIG    1        8.196  -1.064  -0.738  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.854  -1.412  -0.518  0.00  0.00    +0.044 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11